| CAS Number | 137888-35-8 |
| Catalog Number | AG001414(AGN-PC-0JT0NH) |
| Chemical Name | Phosphoric acid, 2-chloro-1-methylethyl bis(3-chloropropyl) ester |
| IUPAC Name | 1-chloropropan-2-yl bis(3-chloropropyl) phosphate |
| InChI | InChI=1S/C9H18Cl3O4P/c1-9(8-12)16-17(13,14-6-2-4-10)15-7-3-5-11/h9H,2-8H2,1H3 |
| InChI Key | LURCDQJWIBOOGP-UHFFFAOYSA-N |
| MDL Number | MFCD32206423 |
| Molecular Formula | C9H18Cl3O4P |
| Molecular Weight | 327.5696 |
| SMILES | CC(CCl)OP(=O)(OCCCCl)OCCCCl |
| Synonyms | 137888-35-8,
Phosphoric acid, 2-chloro-1-methylethyl bis(3-chloropropyl) ester,
ACMC-20b4fb,
AC1LC0ON,
1-chloropropan-2-yl bis(3-chloropropyl) phosphate,
Bis(3-chloro-1-propyl)(1-chloro-2-propyl)phosphate,
CTK0F3388,
DTXSID40340795,
LURCDQJWIBOOGP-UHFFFAOYSA-N,
2-Chloro-1-methylethyl bis(3-chloropropyl) phosphate #,
CID567512,
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| Complexity | 216 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 326.001g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 327.563g/mol |
| Monoisotopic Mass | 326.001g/mol |
| Rotatable Bond Count | 11 |
| Topological Polar Surface Area | 44.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
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Certificate of Analysis
Lot Number